3-[2-(4-fluorophenyl)ethyl]-1-(3-fluoropropyl)piperidine

• ChemBase ID: 678972
• Molecular Formular: C16H23F2N
• Molecular Mass: 267.3573264
• Monoisotopic Mass: 267.17985618
• SMILES: N1(CC(CCc2ccc(F)cc2)CCC1)CCCF
• Canonical SMILES: FCCCN1CCCC(C1)CCc1ccc(cc1)F
• InChI: InChI=1S/C16H23F2N/c17-10-2-12-19-11-1-3-15(13-19)5-4-14-6-8-16(18)9-7-14/h6-9,15H,1-5,10-13H2
• InChIKey: FVTYFVHJBLYVGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenyl)ethyl]-1-(3-fluoropropyl)piperidine
• IUPAC Traditional name: 3-[2-(4-fluorophenyl)ethyl]-1-(3-fluoropropyl)piperidine
• Synonyms: 3-[2-(4-fluorophenyl)ethyl]-1-(3-fluoropropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.39164132
• LogD (pH = 7.4): 1.441974
• Log P: 3.832101
• Molar Refractivity: 75.5807 cm^3
• Polarizability: 28.797873 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.5
• LOG S: -3.98
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6